4-{[2-(2-chlorophenyl)ethyl]amino}-3-nitrobenzoic acid
Chemical Structure Depiction of
4-{[2-(2-chlorophenyl)ethyl]amino}-3-nitrobenzoic acid
4-{[2-(2-chlorophenyl)ethyl]amino}-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0466 |
| Compound Name: | 4-{[2-(2-chlorophenyl)ethyl]amino}-3-nitrobenzoic acid |
| Molecular Weight: | 320.73 |
| Molecular Formula: | C15 H13 Cl N2 O4 |
| Smiles: | C(CNc1ccc(cc1[N+]([O-])=O)C(O)=O)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2643 |
| logD: | 1.4446 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.105 |
| InChI Key: | QHNDEJOXINMRHG-UHFFFAOYSA-N |